Vitas-M small molecule compound
5-butyl-3-(2-hydroxy-4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK680193
SMILES CCCCN1C(=O)C2C(C1=O)C(NC2c1ccc(cc1O)OC)(CC(C)C)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H30N2O6 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O6/c1-5-6-9-24-19(26)16-17(20(24)27)22(21(28)29,11-12(2)3)23-18(16)14-8-7-13(30-4)10-15(14)25/h7-8,10,12,16-18,23,25H,5-6,9,11H2,1-4H3,(H,28,29)InChIKey
APXRCPCJZBJNDW-UHFFFAOYSA-NSynonyms
5BUTYL1(2HYDROXY4METHOXYPHENYL)3(2METHYLPROPYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
5BUTYL1(2HYDROXY4METHOXYPHENYL)3(2METHYLPROPYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5BUTYL3(2HYDROXY4METHOXYPHENYL)1(2METHYLPROPYL)46DIOXOOCTAHYDROPYRROLO(34C)PYRROLE1CARBOXYLICACID
CCCCN1C(=O)C2C(C1=O)C(NC2C3=C(C=C(C=C3)OC)O)(CC(C)C)C(=O)O
InChI=1SC22H30N2O6c15692419(26)1617(20(24)27)22(21(28)291112(2)3)2318(16)148713(304)1015(14)25h78101216182325H56911H214H3(H2829)
MFCD03766883
ZINC000019848804
ZINC000245234392
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